SCHEMBL6964701

SCHEMBL6964701

O=C(NCCc1cc(Cl)cc(Cl)c1Cl)NSc1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 4/20 0.43
GCGR P47871 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KCNH2 Q12809 1/20 0.40
HTT P42858 1/20 0.40
GOT1 P17174 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
RECQL P46063 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6958370 0.86 ALDH1A1 (0.48) KMT2ALMNAGCGRSMN1; SMN2HTT
SCHEMBL6957950 0.85 LMNA (0.50) KMT2ALMNAGCGRSMN1; SMN2KCNH2
SCHEMBL6963954 0.85 HTT (0.42) KMT2ALMNAGCGRSMN1; SMN2HTT
SCHEMBL8890569 0.82 KMT2A (0.55) KMT2AMEN1LMNASMN1; SMN2CCNK
SCHEMBL6963530 0.82 HTT (0.44) KMT2ALMNAGCGRSMN1; SMN2HTT
SCHEMBL6952292 0.82 LMNA (0.53) KMT2AMEN1LMNASMN1; SMN2RECQL
SCHEMBL6957395 0.80 MAPK1 (0.53) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL6958136 0.80 SMN1; SMN2 (0.53) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL6954442 0.80 POLB (0.44) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL6961888 0.78 ALOX5 (0.47) KMT2AMEN1RECQLMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed